5YKA

Crystal structure of the Kdo hydroxylase KdoO, a non-heme Fe(II) alphaketoglutarate dependent dioxygenase in complex with cobalt(II)

Experimental procedure

Experimental method	SINGLE WAVELENGTH
Source type	SYNCHROTRON
Source details	APS BEAMLINE 22-BM
Synchrotron site	APS
Beamline	22-BM
Temperature [K]	100
Detector technology	CCD
Collection date	2012-04-22
Detector	MARMOSAIC 225 mm CCD
Wavelength(s)	1.0
Spacegroup name	P 21 21 21
Unit cell lengths	45.802, 59.607, 116.438
Unit cell angles	90.00, 90.00, 90.00

Refinement procedure

Resolution	23.638 - 1.448
R-factor	0.1577
Rwork	0.157
R-free	0.17860
RMSD bond length	0.005
RMSD bond angle	0.816
Data reduction software	HKL-2000
Data scaling software	HKL-2000
Phasing software	PHENIX
Refinement software	PHENIX (1.10.1_2155)

Data quality characteristics

	Overall	Inner shell	Outer shell
Low resolution limit [Å]	50.000	50.000	1.480
High resolution limit [Å]	1.448	3.940	1.450
Rmerge	0.116	0.099	0.454
Number of reflections	57453	3100	2798
<I/σ(I)>	8.7
Completeness [%]	99.8	99	98.1
Redundancy	7	7.2	5.4

Crystallization Conditions

crystal ID	method	pH	temperature	details
1	VAPOR DIFFUSION, SITTING DROP		288	0.1M Sodium acetate (pH 4.5), 200mM Lithium sulfate, 50% v/v PEG 400